methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate

C18H16N2O5 — CID 2992916

IUPACmethyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C18H16N2O5/c1-24-18(23)12-6-2-3-7-13(12)19-16(21)10-20-14-8-4-5-9-15(14)25-11-17(20)22/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyUZFSMQYLZAAKBD-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.84
Rot. Bonds4

About methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate

methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate (PubChem CID 2992916) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
PubChem CID2992916
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Namemethyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C18H16N2O5/c1-24-18(23)12-6-2-3-7-13(12)19-16(21)10-20-14-8-4-5-9-15(14)25-11-17(20)22/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyUZFSMQYLZAAKBD-UHFFFAOYSA-N
XLogP1.84
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 2993365
ethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 23410098
N-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 47088024
N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 1455414
methyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 39058834
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 18144949
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-thiophen-2-ylphenyl)acetamide
CID 16577576
N-(4-tert-butylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 8779827
2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide
CID 51072486
N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191658
4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 62024634
N-(3-methylsulfanylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 6460021

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate (CID 2992916) is methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CN1C(=O)COc2ccccc21.
What is the InChIKey of methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate?
The InChIKey is UZFSMQYLZAAKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-24-18(23)12-6-2-3-7-13(12)19-16(21)10-20-14-8-4-5-9-15(14)25-11-17(20)22/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate?
methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate has a molecular weight of 340.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate is sourced from PubChem (CID 2992916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).